%chk=000060363.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060363

0 1
 O   0.6489000      0.3010000      0.2763000    
 O   -2.715500      0.7611000     -0.8166000    
 O  -0.3524000     -8.8100001E-02  -1.766800    
 N    2.958800       2.026500      0.2759000    
 C    3.056100      0.5789000      0.4606000    
 C    1.901000     -0.1400000     -0.2471000    
 C    3.498300       2.412800      -1.027400    
 C    3.663500       2.727200       1.348800    
 C    1.987600      -1.639600     -6.5600000E-02
 C    3.349600       3.906400      -1.262200    
 C    5.147100       2.400000       1.336500    
 C    1.360700      -2.248000       1.022000    
 C    2.694800      -2.413900     -0.9856000    
 C  -0.4008000      0.2747000     -0.5993000    
 C    1.441000      -3.630400       1.189400    
 C    2.774800      -3.796300     -0.8181000    
 C    2.148000      -4.404600      0.2693000    
 C   -1.640000      0.7668000      0.1008000    
 C   -3.975000      0.5662000     -0.3032000    
 C   -4.274700      0.9924000      0.9908000    
 C   -4.954100     -5.8600001E-02  -1.075900    
 C   -5.553100      0.7937000       1.512200    
 C   -6.232600     -0.2571000     -0.5544000    
 C   -6.532000      0.1691000      0.7396000    
 H    2.975200      0.3408000       1.530700    
 H    4.017800      0.1760000      0.1167000    
 H    1.952700      7.5000003E-02  -1.321600    
 H    4.534600       2.098500      -1.195000    
 H    2.913400       1.926000      -1.816400    
 H    3.506400       3.810200       1.305900    
 H    3.238200       2.431700       2.316900    
 H    3.538100       4.131500      -2.318100    
 H    4.066000       4.497000     -0.6834000    
 H    2.336300       4.253600      -1.032700    
 H    5.615400       2.878300       2.205600    
 H    5.670900       2.794600      0.4615000    
 H    5.362200       1.331900       1.429600    
 H   0.8156000      -1.668200       1.761800    
 H    3.189200      -1.951600      -1.835800    
 H   0.9559000      -4.104100       2.037900    
 H    3.325900      -4.399100      -1.534000    
 H    2.211200      -5.480900      0.4002000    
 H   -1.813800      8.2699999E-02  0.9408000    
 H   -1.463900       1.789900      0.4489000    
 H   -3.548000       1.505100       1.614200    
 H   -4.726300     -0.3928000      -2.084300    
 H   -5.788500       1.130500       2.517600    
 H   -6.995000     -0.7433000      -1.156000    
 H   -7.527900      1.5799999E-02   1.145000    


%chk=000060363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060363

0 1
O 0.686309 -0.836206 0.061011
O -2.460529 0.721025 -0.769776
O 0.043205 0.288762 -1.899915
N 2.331845 1.522724 0.078261
C 2.898825 0.182987 0.305462
C 2.095088 -0.938472 -0.418185
C 2.696643 2.105547 -1.239536
C 2.435724 2.435168 1.244323
C 2.631331 -2.318607 -0.092989
C 1.840897 3.324020 -1.628555
C 3.863767 2.932935 1.598476
C 2.260844 -2.989525 1.099516
C 3.573556 -2.922908 -0.961341
C -0.175602 -0.061017 -0.726627
C 2.823214 -4.245916 1.414740
C 4.143766 -4.175803 -0.642167
C 3.770081 -4.841145 0.548013
C -1.411088 0.237592 0.113509
C -3.671066 1.116289 -0.170123
C -3.939372 1.055659 1.220096
C -4.652540 1.598618 -1.071350
C -5.200957 1.484441 1.697470
C -5.902339 2.020576 -0.578981
C -6.185627 1.966974 0.809009
H 2.876403 -0.040111 1.388376
H 3.962844 0.086850 -0.023455
H 2.089563 -0.764782 -1.509830
H 3.782159 2.372580 -1.285121
H 2.526831 1.321625 -2.000052
H 1.781713 3.306841 1.059750
H 2.008079 1.904523 2.116853
H 2.089739 3.640687 -2.657810
H 2.011085 4.191078 -0.964806
H 0.770500 3.056770 -1.601747
H 3.830783 3.578168 2.496183
H 4.303211 3.525216 0.775411
H 4.543141 2.087636 1.813715
H 1.516434 -2.533635 1.760577
H 3.855097 -2.418176 -1.893986
H 2.523276 -4.762115 2.333738
H 4.869361 -4.634752 -1.322965
H 4.206177 -5.815750 0.794201
H -1.718178 -0.682045 0.649705
H -1.130861 1.005009 0.865039
H -3.194356 0.682335 1.929297
H -4.411863 1.631790 -2.138256
H -5.408605 1.437082 2.772548
H -6.658104 2.392687 -1.279608
H -7.158803 2.296073 1.187903


